| SpectraBase Compound ID | EpBpy7yB26w |
|---|---|
| InChI | InChI=1S/C17H24ClN/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2 |
| InChIKey | KWLKIZFVNNKPJT-UHFFFAOYSA-N |
| Mol Weight | 277.84 g/mol |
| Molecular Formula | C17H24ClN |
| Exact Mass | 277.159727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzyHLFWtxyT |
|---|---|
| Name | 2-Benzyl-3-chloromethyldecahydroisoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.159727477 u |
| Formula | C17H24ClN |
| InChI | InChI=1S/C17H24ClN/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2 |
| InChIKey | KWLKIZFVNNKPJT-UHFFFAOYSA-N |
| Molecular Weight | 277.839 g/mol |
| SMILES | C1=CC=CC=C1CN1CC2CCCCC2CC1CCl |